49792219 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 17 9 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 5 5 5 6 6 7 7 7 7 8 8 9 9 11 11 13 13 14 14 15 15 15 16 17 17 18 18 19 19 20 21 21 22 22 23 23 24 25 26 26 27 25 20 8 10 12 12 15 32 10 16 8 9 28 29 12 30 10 11 13 14 17 18 16 31 19 33 34 35 20 36 21 37 22 23 24 24 38 25 39 26 40 41 27 27 42 43 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 2 1 1 2 1 1 1 8 3 7 12 30 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 10.7619 4.5981 4.6783 6.7619 6.7619 2.866 4.6783 5.2619 3.732 3.732 2.866 6.2619 2.866 2 7.7619 2 3.732 2 8.2619 3.732 2 9.2619 7.7619 2.866 9.7619 8.2619 9.2619 5.2156 4.4272 5.5436 1.4631 6.4519 8.3445 7.6542 1.4631 4.269 1.4631 1.4631 9.5719 7.1419 2.866 7.9519 9.5719 -2.866 3.732 -1.0727 0.5981 -1.134 -1.268 0.5368 -0.2679 0.2321 -0.7679 0.7321 -0.2679 1.732 0.2321 -1.134 -0.7679 2.232 2.232 -2 3.232 3.232 -2 -2.866 3.732 -2.866 -3.732 -3.732 0.846 1.1037 -0.8203 0.5421 -1.6709 -0.9219 -0.5234 -1.078 1.922 1.922 3.542 -1.4631 -2.866 4.352 -4.269 -4.269 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 8 9 9 11 13 13 14 17 18 19 19 20 21 22 23 25 26 10 16 12 10 11 14 17 18 16 20 21 22 23 24 24 25 26 27 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 522 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B31000400000000000000000000000001200000003C608000000000005801D000001F02100000000C16E19A2E3C8492C81400A8023177540282882031272008D8A17C6E980E2672C5B39F8F3828E4D611D8E807B8DDF28E80000020000000000000004000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(3-chlorophenyl)methyl]-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(3-chlorophenyl)methyl]-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[(3-chlorophenyl)methyl]-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(3-chlorophenyl)methyl]-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(3-chlorophenyl)methyl]-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-chlorobenzyl)-4-(3-fluorophenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H16ClFN2O2/c22-15-5-1-3-13(9-15)12-25-20(26)19-11-18-17(7-8-24-21(18)27-19)14-4-2-6-16(23)10-14/h1-10,19H,11-12H2,(H,25,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BWTRNBYNBMIGBT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 382.0884336 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H16ClFN2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 382.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(OC2=NC=CC(=C21)C3=CC(=CC=C3)F)C(=O)NCC4=CC(=CC=C4)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(OC2=NC=CC(=C21)C3=CC(=CC=C3)F)C(=O)NCC4=CC(=CC=C4)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 51.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 382.0884336 27 1 0 1 0 0 0 0 1 -1